CID 3088382

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-2h-imidazo(2,1-b)(1,3,4)thiadiazine hydrochloride

Structural Information

Molecular Formula
C19H25N3OS
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN3C=CN=C3SC2
InChI
InChI=1S/C19H25N3OS/c1-18(2,3)13-9-12(10-14(16(13)23)19(4,5)6)15-11-24-17-20-7-8-22(17)21-15/h7-10,23H,11H2,1-6H3
InChIKey
AMYFKWWXZOPJHN-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.17184 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17912 187.3
[M+Na]+ 366.16106 196.5
[M-H]- 342.16456 190.4
[M+NH4]+ 361.20566 200.5
[M+K]+ 382.13500 191.0
[M+H-H2O]+ 326.16910 180.1
[M+HCOO]- 388.17004 195.9
[M+CH3COO]- 402.18569 210.2
[M+Na-2H]- 364.14651 187.9
[M]+ 343.17129 190.3
[M]- 343.17239 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe